ReactionMechanismGenerator / T3

The Tandem Tool (T3) for automated chemical kinetic model development
https://reactionmechanismgenerator.github.io/T3/
MIT License
12 stars 5 forks source link

Allow users to use a shared RMG library between different T3 projects #153

Closed alongd closed 4 months ago

alongd commented 6 months ago

Added a new feature that allows users to use a single location for multiple T3 runs for saving RMG kinetics and thermo libraries. Tests added.

codecov-commenter commented 4 months ago

Codecov Report

Attention: Patch coverage is 59.25926% with 55 lines in your changes missing coverage. Please review.

Project coverage is 47.40%. Comparing base (aef0265) to head (c43622e).

Files Patch % Lines
t3/utils/libraries.py 51.64% 35 Missing and 9 partials :warning:
t3/schema.py 75.00% 3 Missing and 2 partials :warning:
t3/main.py 80.95% 2 Missing and 2 partials :warning:
t3/simulate/rmg_constantTP.py 33.33% 1 Missing and 1 partial :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #153 +/- ## ========================================== + Coverage 47.00% 47.40% +0.39% ========================================== Files 24 25 +1 Lines 3340 3390 +50 Branches 896 912 +16 ========================================== + Hits 1570 1607 +37 - Misses 1571 1580 +9 - Partials 199 203 +4 ``` | [Flag](https://app.codecov.io/gh/ReactionMechanismGenerator/T3/pull/153/flags?src=pr&el=flags&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ReactionMechanismGenerator) | Coverage Δ | | |---|---|---| | [unittests](https://app.codecov.io/gh/ReactionMechanismGenerator/T3/pull/153/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ReactionMechanismGenerator) | `47.40% <59.25%> (+0.39%)` | :arrow_up: | Flags with carried forward coverage won't be shown. [Click here](https://docs.codecov.io/docs/carryforward-flags?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ReactionMechanismGenerator#carryforward-flags-in-the-pull-request-comment) to find out more.

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